6-[(5S)-5-[2-[[3-[6-[[(3S,4R)-3,4-dihydroxycyclopentyl]methoxy]-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

C30H33N5O7 — CID 118938923

About 6-[(5S)-5-[2-[[3-[6-[[(3S,4R)-3,4-dihydroxycyclopentyl]methoxy]-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one

6-[(5S)-5-[2-[[3-[6-[[(3S,4R)-3,4-dihydroxycyclopentyl]methoxy]-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (PubChem CID 118938923) has the molecular formula C30H33N5O7 and a molecular weight of 575.62 g/mol. Its IUPAC name is 6-[(5S)-5-[2-[[3-[6-[[(3S,4R)-3,4-dihydroxycyclopentyl]methoxy]-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

Molecular Properties

• Compound Name: 6-[(5S)-5-[2-[[3-[6-[[(3S,4R)-3,4-dihydroxycyclopentyl]methoxy]-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• PubChem CID: 118938923
• Molecular Formula: C30H33N5O7
• Molecular Weight: 575.62 g/mol
• Exact Mass: 575.24
• IUPAC Name: 6-[(5S)-5-[2-[[3-[6-[[(3S,4R)-3,4-dihydroxycyclopentyl]methoxy]-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
• SMILES: O=C1COc2ccc(N3C[C@H](CCNCc4cccc(-c5cccc(OCC6C[C@@H](O)[C@@H](O)C6)n5)c4)OC3=O)nc2N1
• InChI: InChI=1S/C30H33N5O7/c36-23-12-19(13-24(23)37)16-41-28-6-2-5-22(32-28)20-4-1-3-18(11-20)14-31-10-9-21-15-35(30(39)42-21)26-8-7-25-29(33-26)34-27(38)17-40-25/h1-8,11,19,21,23-24,31,36-37H,9-10,12-17H2,(H,33,34,38)/t19?,21-,23-,24+/m0/s1
• InChIKey: SGPBCLMUTTUENH-DJTAZZKNSA-N
• XLogP: 2.49
• TPSA: 155.37 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	575.62
LogP ≤ 5	2.49
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(5S)-5-[2-[[3-[6-[[(3S,4R)-3,4-dihydroxycyclopentyl]methoxy]-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The IUPAC name of 6-[(5S)-5-[2-[[3-[6-[[(3S,4R)-3,4-dihydroxycyclopentyl]methoxy]-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one (CID 118938923) is 6-[(5S)-5-[2-[[3-[6-[[(3S,4R)-3,4-dihydroxycyclopentyl]methoxy]-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one.

What is the SMILES notation for 6-[(5S)-5-[2-[[3-[6-[[(3S,4R)-3,4-dihydroxycyclopentyl]methoxy]-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The canonical SMILES for 6-[(5S)-5-[2-[[3-[6-[[(3S,4R)-3,4-dihydroxycyclopentyl]methoxy]-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is O=C1COc2ccc(N3C[C@H](CCNCc4cccc(-c5cccc(OCC6C[C@@H](O)[C@@H](O)C6)n5)c4)OC3=O)nc2N1.

What is the InChIKey of 6-[(5S)-5-[2-[[3-[6-[[(3S,4R)-3,4-dihydroxycyclopentyl]methoxy]-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

The InChIKey is SGPBCLMUTTUENH-DJTAZZKNSA-N. The full InChI is InChI=1S/C30H33N5O7/c36-23-12-19(13-24(23)37)16-41-28-6-2-5-22(32-28)20-4-1-3-18(11-20)14-31-10-9-21-15-35(30(39)42-21)26-8-7-25-29(33-26)34-27(38)17-40-25/h1-8,11,19,21,23-24,31,36-37H,9-10,12-17H2,(H,33,34,38)/t19?,21-,23-,24+/m0/s1.

What are the key properties of 6-[(5S)-5-[2-[[3-[6-[[(3S,4R)-3,4-dihydroxycyclopentyl]methoxy]-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one?

6-[(5S)-5-[2-[[3-[6-[[(3S,4R)-3,4-dihydroxycyclopentyl]methoxy]-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one has a molecular weight of 575.62 g/mol, XLogP of 2.49, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5S)-5-[2-[[3-[6-[[(3S,4R)-3,4-dihydroxycyclopentyl]methoxy]-2-pyridinyl]phenyl]methylamino]ethyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one is sourced from PubChem (CID 118938923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).